#!/usr/bin/env python2
# -*- coding: utf-8 -*-
import os
import sys
sys.path.append("../")
import cif2cell as c2c 
c2c.options.program = 'abacus-lcao' 
c2c.options.file = "../cifs/BaTiO3_orthorhombic.cif"
c2c.options.pseudostringsuffix = "_ONCV_PBE-1.0.upf"
c2c.options.pspdir = "../PotentialPath"
c2c.options.orbfilepath = "../OrbitalPath"
c2c.options.kresolution  = 0.2
c2c.options.energycutoff = "100"
c2c.cif2cellmain() 
